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Structure paper

TitleDiscovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 1541-1551, Year 2018
Publish dateFeb 22, 2018 (structure data deposition date)
AuthorsBabault, N. / Allali-Hassani, A. / Li, F. / Fan, J. / Yue, A. / Ju, K. / Liu, F. / Vedadi, M. / Liu, J. / Jin, J.
External linksJ. Med. Chem. / PubMed:29320176
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-6chh:
Structure of human NNMT in complex with bisubstrate inhibitor MS2756
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-F0P:
(2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / protein-small molecule bisubstrate inhibitor complex / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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